CID 130094465

5-(bromomethyl)-2-(difluoromethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
C1=CC(=NC=C1CBr)C(F)F
InChI
InChI=1S/C7H6BrF2N/c8-3-5-1-2-6(7(9)10)11-4-5/h1-2,4,7H,3H2
InChIKey
LXOVDEKFFJNDIA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

220.96516 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 136.6
[M+Na]+ 243.95438 148.8
[M-H]- 219.95788 139.3
[M+NH4]+ 238.99898 157.4
[M+K]+ 259.92832 137.8
[M+H-H2O]+ 203.96242 135.0
[M+HCOO]- 265.96336 155.1
[M+CH3COO]- 279.97901 185.8
[M+Na-2H]- 241.93983 143.7
[M]+ 220.96461 152.5
[M]- 220.96571 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe